Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL15210122 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MEN1LMNATHRBBLM | |
| SCHEMBL28562323 | 0.95 | ALDH1A1 (0.41) | ALDH1A1MEN1LMNATHRBBLM | |
| Dimethylamine SCHEMBL28925370 | 0.89 | ALDH1A1 (0.37) | ALDH1A1MEN1LMNATHRBBLM | |
| SCHEMBL3394057 | 0.81 | — | — | |
| Furan SCHEMBL29163164 | 0.80 | ALDH1A1 (0.35) | ALDH1A1MEN1LMNATHRBBLM | |
| SCHEMBL11306795 | 0.74 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL19138056 | 0.74 | ALDH1A1 (0.44) | ALDH1A1MEN1LMNATHRBBLM | |
| Water SCHEMBL27897235 | 0.73 | — | — | |
| Water SCHEMBL2308338 | 0.73 | ALDH1A1 (0.34) | ALDH1A1LMNATHRBCYP2A6TSHR | |
| SCHEMBL28293969 | 0.73 | MAOB (0.42) | ALDH1A1LMNACYP2A6MAOAMAOB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2233476-B1 | Preparation of an ether of 2,5-(hydroxymethyl)furfural (HMF) from a fructose source, an alcohol solvent and an acid catalyst | ARCHER DANIELS MIDLAND CO (US) | 2013-08-28 | — | — | EP | claimed |
| EP-2233476-A1 | Preparation of an ether of 2,5-(hydroxymethyl)furfural (HMF) from a fructose source, an alcohol solvent and an acid catalyst | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2010-09-29 | — | — | EP | claimed |
| US-7579489-B2 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2009-08-25 | — | — | US | claimed |
| US-20080027236-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER-DANIELS-MIDLAND COMPANY | 2008-01-31 | — | — | US | claimed |
| EP-1838688-A2 | PREPARATION OF 2,5-(HYDROXYMETHYL)FURALDEHYDE (HMF), DERIVATIVES THEREOF AND LEVULINIC ACID FROM FRUCTOSE AS WELL AS PREPARATION OF 2,5-BIS-(HYDROXYMETHYL)FURAN FROM 2,5-(HYDROXYMETHYL)FURALDEHYDE | Archer-Daniels-Midland Company (US) | 2007-10-03 | — | — | EP | claimed |
| US-20060142599-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER -DANIELS- MIDLAND COMPANY | 2006-06-29 | — | — | US | claimed |
| WO-2006063220-A2 | PREPARATION OF 2,5-(HYDR0XYMETHYL)FURALDEHYDE (HMF) , DERIVATIVES THEREOF AND LEVULINIC ACID FROM FRUCTOSE AS WELL AS PREPARATION OF 2 , 5-BIS- (HYDROXYMETHYL) FURAN FROM 2 , 5- (HYDROXYMETHYL) FURALDEHYDE | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2006-06-15 | — | — | WO | claimed |
| US-9090579-B2 | Processes for making sugar and/or sugar alcohol dehydration products | ARCHER DANIELS MIDLAND CO. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20150005516-A1 | PROCESSES FOR MAKING SUGAR AND/OR SUGAR ALCOHOL DEHYDRATION PRODUCTS | ARCHER DANIELS MIDLAND CO (US) | 2015-01-01 | — | — | US | disclosed |
| EP-2233476-B1 | Preparation of an ether of 2,5-(hydroxymethyl)furfural (HMF) from a fructose source, an alcohol solvent and an acid catalyst | ARCHER DANIELS MIDLAND CO (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2233476-A1 | Preparation of an ether of 2,5-(hydroxymethyl)furfural (HMF) from a fructose source, an alcohol solvent and an acid catalyst | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2010-09-29 | — | — | EP | disclosed |
| EP-2233477-A1 | Preparation of levulinic acid from fructose using an acid catalyst, a polyethylene glycol and an end-capped polyethylene glycol | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2010-09-29 | — | — | EP | disclosed |
| EP-2233478-A1 | Preparation of 2,5-bis(hydroxymethyl)furan from 2,5-(hydroxymethyl)furaldehyde to using a nickel-zirconium catalyst | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2010-09-29 | — | — | EP | disclosed |
| US-7579489-B2 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2009-08-25 | — | — | US | disclosed |
| US-20080027236-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER-DANIELS-MIDLAND COMPANY | 2008-01-31 | — | — | US | disclosed |
| US-7317116-B2 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER-DANIELS-MIDLAND-COMPANY (US) | 2008-01-08 | — | — | US | disclosed |
| EP-1838688-A2 | PREPARATION OF 2,5-(HYDROXYMETHYL)FURALDEHYDE (HMF), DERIVATIVES THEREOF AND LEVULINIC ACID FROM FRUCTOSE AS WELL AS PREPARATION OF 2,5-BIS-(HYDROXYMETHYL)FURAN FROM 2,5-(HYDROXYMETHYL)FURALDEHYDE | Archer-Daniels-Midland Company (US) | 2007-10-03 | — | — | EP | disclosed |
| US-20060142599-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ARCHER -DANIELS- MIDLAND COMPANY | 2006-06-29 | — | — | US | disclosed |
| WO-2006063220-A2 | PREPARATION OF 2,5-(HYDR0XYMETHYL)FURALDEHYDE (HMF) , DERIVATIVES THEREOF AND LEVULINIC ACID FROM FRUCTOSE AS WELL AS PREPARATION OF 2 , 5-BIS- (HYDROXYMETHYL) FURAN FROM 2 , 5- (HYDROXYMETHYL) FURALDEHYDE | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2006-06-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060142599-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ALDOA, SORD, DERA | MEN1 1591/4885THRB 3651/4885ALDH1A1 65/4885 |
| US-20080027236-A1 | Processes for the preparation and purification of hydroxymethylfuraldehyde and derivatives | ALDOA, SORD, DERA | MEN1 1591/4885THRB 3651/4885ALDH1A1 65/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.